Hi, The .str file contains the information of atomtype, bonds and improper dihedrals, so it is eneough to write a .rtp file. Then using pdb2gmx to generate the itp file.
And you also need to add the missing parameters from CgenFF into the itp parameter files based on chapter 5, as Justin suggested. best regards, Jianguo ________________________________ From: Steven Neumann <s.neuman...@gmail.com> To: gmx-users@gromacs.org Sent: Wednesday, 24 August 2011 20:26:13 Subject: [gmx-users] Convert drug Charmm topology to Gromacs Dear Gromacs Users, I have generated topology file for CHARMM ff using online server for my small molecule (I obtained .str file). How can I convert it into the Gromacs topology file (.itp)? Thanks, Steve
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